U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C16H13BrF2N4O3
Molecular Weight 427.2004
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-(4-BROMO-2-FLUORO-ANILINO)-7-FLUORO-N-(2-HYDROXYETHOXY)-3H-BENZIMIDAZOLE-5-CARBOXAMIDE

SMILES

c1cc(c(cc1Br)F)Nc2c(cc3c(c2F)[nH]cn3)C(=NOCCO)O

InChI

InChIKey=QTZWAOWRAYNIGD-UHFFFAOYSA-N
InChI=1S/C16H13BrF2N4O3/c17-8-1-2-11(10(18)5-8)22-14-9(16(25)23-26-4-3-24)6-12-15(13(14)19)21-7-20-12/h1-2,5-7,22,24H,3-4H2,(H,20,21)(H,23,25)

HIDE SMILES / InChI

Molecular Formula C16H13BrF2N4O3
Molecular Weight 427.2004
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 04:39:59 UTC 2021
Edited
by admin
on Sat Jun 26 04:39:59 UTC 2021
Record UNII
RM3RX36H4Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-(4-BROMO-2-FLUORO-ANILINO)-7-FLUORO-N-(2-HYDROXYETHOXY)-3H-BENZIMIDAZOLE-5-CARBOXAMIDE
Systematic Name English
AR00426032
Common Name English
BINIMETINIB METABOLITE M3 (N-DESMETHYL)
Common Name English
Code System Code Type Description
FDA UNII
RM3RX36H4Y
Created by admin on Sat Jun 26 04:39:59 UTC 2021 , Edited by admin on Sat Jun 26 04:39:59 UTC 2021
PRIMARY
PUBCHEM
139593402
Created by admin on Sat Jun 26 04:39:59 UTC 2021 , Edited by admin on Sat Jun 26 04:39:59 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE ACTIVE